# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '9CT' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C0 C 5.32800 4.85900 1.20000 1.000 C1 C 4.42500 3.79900 0.56600 1.000 C2 C 5.17700 2.49700 0.46000 1.000 C3 C 6.68200 0.29900 -0.44300 1.000 C4 C 3.18800 -1.07000 -0.13400 1.000 C5 C 1.19400 -2.33800 0.09800 1.000 C6 C -0.95000 -1.78800 0.36500 1.000 C7 C -2.20400 -0.96700 0.52500 1.000 C8 C -3.22000 -1.37400 -0.54500 1.000 C9 C -4.47300 -0.55400 -0.38500 1.000 C10 C -4.60000 0.65000 -1.05200 1.000 C11 C -5.75300 1.40700 -0.90600 1.000 C12 C -7.09100 3.31800 -1.36400 1.000 C13 C -6.78000 0.95500 -0.09100 1.000 C14 C -6.65100 -0.25300 0.57700 1.000 C15 C -8.81500 0.12900 1.48400 1.000 C16 C -5.49700 -1.00900 0.42400 1.000 O17 O 6.32200 2.42400 0.85400 1.000 N18 N 4.57700 1.41300 -0.07200 1.000 C19 C 5.30500 0.24300 -0.27500 1.000 C20 C 4.65100 -0.99700 -0.31200 1.000 C21 C 5.39200 -2.16300 -0.51700 1.000 C22 C 6.75900 -2.08800 -0.68200 1.000 C23 C 7.40200 -0.86100 -0.64500 1.000 O24 O 2.53500 -0.04900 -0.04600 1.000 N25 N 2.57600 -2.26900 -0.07000 1.000 N26 N 0.45100 -3.47200 0.17900 1.000 N27 N -0.88800 -3.09500 0.34600 1.000 O28 O -5.87700 2.59100 -1.56100 1.000 O29 O -7.65500 -0.69900 1.37700 1.000 C30 C 0.34400 -1.28200 0.21600 1.000 H31 H 5.62900 4.53100 2.19500 1.000 H32 H 6.21400 4.99900 0.58100 1.000 H33 H 4.78400 5.80000 1.27600 1.000 H34 H 3.53900 3.65800 1.18500 1.000 H35 H 4.12400 4.12600 -0.43000 1.000 H36 H 7.19000 1.25200 -0.42000 1.000 H37 H -2.62800 -1.14100 1.51300 1.000 H38 H -1.96300 0.09000 0.41300 1.000 H39 H -2.79500 -1.20000 -1.53400 1.000 H40 H -3.46000 -2.43200 -0.43400 1.000 H41 H -3.80000 1.00100 -1.68700 1.000 H42 H -7.06000 4.24100 -1.94300 1.000 H43 H -7.93500 2.71200 -1.69400 1.000 H44 H -7.20600 3.55500 -0.30700 1.000 H45 H -7.67800 1.54300 0.02400 1.000 H46 H -8.53100 1.10200 1.88500 1.000 H47 H -9.26100 0.25800 0.49800 1.000 H48 H -9.53700 -0.34200 2.15100 1.000 H49 H -5.39600 -1.95100 0.94300 1.000 H50 H 3.63800 1.44800 -0.31200 1.000 H51 H 4.89600 -3.12100 -0.54700 1.000 H52 H 7.33100 -2.99000 -0.84100 1.000 H53 H 8.47300 -0.81300 -0.77600 1.000 H54 H 3.09800 -3.08400 -0.14100 1.000 H55 H 0.78600 -4.38000 0.13000 1.000 H56 H 0.62000 -0.23800 0.19300 1.000